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Multicomponent syntheses of pyrazoles via (3 + 2)-cyclocondensation and (3 + 2)-cycloaddition key steps

Ignaz Betcke, Alissa C. Götzinger, Maryna M. Kornet and Thomas J. J. Müller

Beilstein J. Org. Chem. 2024, 20, 2024–2077. https://doi.org/10.3762/bjoc.20.178

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Chemical structure C<sub>11</sub>H<sub>16</sub>N<sub>2</sub>O<sub>3</sub>

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Extracted from

Scheme 61

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₁H₁₆N₂O₃
Molecular Weight	224.26 g/mol
Exact Mass	224.1161 Da
InChI	InChI=1S/C11H16N2O3/c1-4-6-8-9(7(3)14)12-13-10(8)11(15)16-5-2/h4-6H2,1-3H3,(H,12,13)
InChIKey	HWINEWNFWOVZCG-UHFFFAOYSA-N
SMILES	CCCC1=C(C(=O)OCC)NN=C1C(=O)C
Number of Atoms	32
Number of H-Bond Acceptors	5
Number of H-Bond Donors	1
Atoms in the Largest π-System	10
XLogP	2.6

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